SCHEMBL8043422

SCHEMBL8043422

C[n+]1c2ccccc2c(C(=O)[O-])c2ccccc21.N#Cc1cccc(C(=N)Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
GSK3B P49841 2/20 0.38
S1PR3 Q99500 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
VNN1 O95497 3/20 0.35
TYMS P04818 1/20 0.35
GRM5 P41594 2/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
KMT2A Q03164 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KAT6A Q92794 1/20 0.34
ELANE P08246 1/20 0.34
S1PR4 O95977 1/20 0.34
GPR139 Q6DWJ6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18670837 0.74 GSK3B (0.51) ABCC9ABCC8KCNJ11KCNJ8GSK3B
SCHEMBL31163696 0.74 ACHE (0.50)
SCHEMBL8495949 0.74 ACHE (0.50)
SCHEMBL8029948 0.73 ACHE (0.36)
SCHEMBL8030046 0.72 ACHE (0.35)
Silver SCHEMBL11706672 0.67 GSK3B (0.59) GSK3BIRAK4VNN1GRM5MEN1
SCHEMBL9034881 0.67 ACHE (0.38) MEN1KMT2A
SCHEMBL8997328 0.67 ACHE (0.42)
SCHEMBL7024186 0.66 ACHE (0.50)
SCHEMBL31575813 0.66 GSK3B (0.61) GSK3BIRAK4VNN1GRM5MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988288-A1 HETEROCYCLIC CHEMOLUMINESCENT DERIVATIVES BIOCODE S.A. (BE) 2000-03-29 EP disclosed
WO-1998056765-A1 HETEROCYCLIC CHEMOLUMINESCENT DERIVATIVES BIOCODE S.A. (BE) 1998-12-17 WO disclosed